2-amino-5-bromo-N-(thiatriazol-5-yl)pyridine-3-carboxamide

C7H5BrN6OS — CID 114914283

IUPAC2-amino-5-bromo-N-(thiatriazol-5-yl)pyridine-3-carboxamide
SMILESNc1ncc(Br)cc1C(=O)Nc1nnns1
InChIInChI=1S/C7H5BrN6OS/c8-3-1-4(5(9)10-2-3)6(15)11-7-12-13-14-16-7/h1-2H,(H2,9,10)(H,11,12,14,15)
InChIKeyVSIPTOLWGHKEAB-UHFFFAOYSA-N
MW301.13 g/mol
LogP0.93
Rot. Bonds2

About 2-amino-5-bromo-N-(thiatriazol-5-yl)pyridine-3-carboxamide

2-amino-5-bromo-N-(thiatriazol-5-yl)pyridine-3-carboxamide (PubChem CID 114914283) has the molecular formula C7H5BrN6OS and a molecular weight of 301.13 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(thiatriazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(thiatriazol-5-yl)pyridine-3-carboxamide
PubChem CID114914283
Molecular FormulaC7H5BrN6OS
Molecular Weight301.13 g/mol
Exact Mass299.94
IUPAC Name2-amino-5-bromo-N-(thiatriazol-5-yl)pyridine-3-carboxamide
SMILESNc1ncc(Br)cc1C(=O)Nc1nnns1
InChIInChI=1S/C7H5BrN6OS/c8-3-1-4(5(9)10-2-3)6(15)11-7-12-13-14-16-7/h1-2H,(H2,9,10)(H,11,12,14,15)
InChIKeyVSIPTOLWGHKEAB-UHFFFAOYSA-N
XLogP0.93
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-5-bromo-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 62151599
2-amino-5-bromo-N-(thiadiazol-5-yl)pyridine-3-carboxamide
CID 114914151
5-bromo-2-chloro-N-(thiatriazol-5-yl)benzamide
CID 114912771
2,4-dibromo-N-(thiatriazol-5-yl)benzamide
CID 107953571
4-amino-N-(thiatriazol-5-yl)pyridine-3-carboxamide
CID 114914399
2-amino-N-(1,3-benzothiazol-2-yl)-5-bromopyridine-3-carboxamide
CID 62153414
4-bromo-N-(thiatriazol-5-yl)thiophene-3-carboxamide
CID 164656698
2-amino-5-bromo-N-(2,4-dibromophenyl)pyridine-3-carboxamide
CID 62187349
2-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-carboxamide
CID 62153366
5-amino-2-methyl-N-(thiatriazol-5-yl)benzamide
CID 114911640
2-bromo-4-fluoro-N-(thiatriazol-5-yl)benzamide
CID 114912800
2-amino-N-(thiatriazol-5-yl)-5-(trifluoromethyl)benzamide
CID 114914384

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(thiatriazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-(thiatriazol-5-yl)pyridine-3-carboxamide (CID 114914283) is 2-amino-5-bromo-N-(thiatriazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-(thiatriazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-(thiatriazol-5-yl)pyridine-3-carboxamide is Nc1ncc(Br)cc1C(=O)Nc1nnns1.
What is the InChIKey of 2-amino-5-bromo-N-(thiatriazol-5-yl)pyridine-3-carboxamide?
The InChIKey is VSIPTOLWGHKEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN6OS/c8-3-1-4(5(9)10-2-3)6(15)11-7-12-13-14-16-7/h1-2H,(H2,9,10)(H,11,12,14,15).
What are the key properties of 2-amino-5-bromo-N-(thiatriazol-5-yl)pyridine-3-carboxamide?
2-amino-5-bromo-N-(thiatriazol-5-yl)pyridine-3-carboxamide has a molecular weight of 301.13 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(thiatriazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 114914283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).